SCHEMBL17544716

SCHEMBL17544716

CCOC(=O)c1cc(CNCc2nc(CO)cn2Cc2ccc(F)cc2)nc(CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 2/20 0.37
▸ MAPT P10636 7/20 0.36
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ P2RY12 Q9H244 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ADORA3 P0DMS8 2/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17545006 0.90 MAPT (0.41) GRM2MAPTPOLBALDH1A1HTT
SCHEMBL17544568 0.87 HSP90AA1 (0.41) GRM2MAPTPOLBALDH1A1P2RY12
SCHEMBL17683839 0.87 MAPT (0.36) GRM2MAPTPOLBALDH1A1HTT
SCHEMBL17544982 0.79 HSP90AA1 (0.36) GRM2MAPTPOLBMEN1KMT2A
SCHEMBL17544550 0.79 PDE6D (0.38) GRM2MAPTPOLBTP53SMN1; SMN2
SCHEMBL17544576 0.79 TP53 (0.37) GRM2MAPTPOLBTP53SMN1; SMN2
SCHEMBL17544589 0.78 PPARA (0.38) MAPTKDM4ECASP3SENP7
SCHEMBL17544599 0.73 MAPT (0.38) MAPTPOLBALDH1A1HTTKMT2A
SCHEMBL17670328 0.72 ALDH1A1 (0.38) GRM2MAPTALDH1A1MEN1KMT2A
SCHEMBL17544765 0.70 TP53 (0.40) GRM2MAPTPOLBALDH1A1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
EP-3186238-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-07-05 — — EP disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 — — WO disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 GRM2 1490/4885MAPT 4137/4885POLB 637/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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